ChemSpider 2D Image | KN-62 | C38H35N5O6S2

KN-62

  • Molecular FormulaC38H35N5O6S2
  • Average mass721.844 Da
  • Monoisotopic mass721.202881 Da
  • ChemSpider ID4471558
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(N,O-bis(5-isoquinolinesulfonyl)-N-methyl-L-tyrosyl)-4-phenylpiperazine
127191-97-3 [RN]
4-[(2S)-2-[(5-Isochinolinylsulfonyl)(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl-5-isochinolinsulfonat [German] [ACD/IUPAC Name]
4-[(2S)-2-[(5-Isoquinolinylsulfonyl)(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl 5-isoquinolinesulfonate [ACD/IUPAC Name]
4-[(2S)-2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo- 3-(4-phenyl-1-piperazinyl)propyl]phenylisoquinolinesulfonicacid ester KN-62
4-[(2S)-2-[(Isoquinolin-5-ylsulfonyl)(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl isoquinoline-5-sulfonate
5-Isoquinoléinesulfonate de 4-[(2S)-2-[(5-isoquinoléinylsulfonyl)(méthyl)amino]-3-oxo-3-(4-phényl-1-pipérazinyl)propyl]phényle [French] [ACD/IUPAC Name]
5-Isoquinolinesulfonic acid, 4-[(2S)-2-[(5-isoquinolinylsulfonyl)methylamino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester [ACD/Index Name]
(S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonat
(S)-4-(2-(N-methylisoquinoline-5-sulfonamido)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

63HM46XPOW [DBID]
KN-62 [DBID] [Wiki]
AIDS218221 [DBID]
AIDS-218221 [DBID]
Bio1_000292 [DBID]
Bio1_000781 [DBID]
Bio1_001270 [DBID]
CBiol_002006 [DBID]
I2142_SIGMA [DBID]
KN 62 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      CaMK-II P2X Receptor MedChem Express HY-13290
      Ion Channels Tocris Bioscience 1277
      KN-62 is selective, cell-permeable inhibitor of CaM kinase II (IC50 = 0.9 ?M); binds directly to the calmodulin binding site of the enzyme; potent non-competitive antagonist at the P2X7 receptor (IC50 = 15 nM).; IC50 value: 0.9 uM (CaMK II); 15 nM (P2X7 receptor); Target: CaMK II; P2X7 receptor; In previous studies, KN-62 exhibits inhibitory effects on the regulated secretion of insulin by hetero-junction with intrinsic thin-layer (HIT) cells and the cholecystokinin secretion from stanniocalcin-1 (STC-1) enteroendocrine cells due to a block of Ca2+ influx through L-type Ca2+ channels in the olasma membrane. MedChem Express HY-13290
      Ligand-gated Ion Channels Tocris Bioscience 1277
      Membrane Tranporter/Ion Channel MedChem Express HY-13290
      Membrane Tranporter/Ion Channel; MedChem Express HY-13290
      Non-competitive P2X7 antagonist Tocris Bioscience 1277
      P2X Receptor MedChem Express HY-13290
      P2X Receptors Tocris Bioscience 1277
      Selective, cell-permeable inhibitor of CaM kinase II (IC50 = 0.9 ?M). Binds directly to the calmodulin binding site of the enzyme. Potent non-competitive antagonist at the P2X7 receptor (IC50 = 15 nM) . Tocris Bioscience 1277
      Selective, cell-permeable inhibitor of CaM kinase II (IC50 = 0.9 ?M). Binds directly to the calmodulin binding site of the enzyme. Potent non-competitive antagonist at the P2X7 receptor (IC50 = 15 nM). Tocris Bioscience 1277
      Selective, cell-permeable inhibitor of CaM kinase II (IC50 = 0.9 muM). Binds directly to the calmodulin binding site of the enzyme. Potent non-competitive antagonist at the P2X7 receptor (IC50 = 15 nM). Tocris Bioscience 1277

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 964.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 537.3±37.1 °C
Index of Refraction: 1.686
Molar Refractivity: 197.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4500.48
ACD/KOC (pH 5.5): 14131.43
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4737.22
ACD/KOC (pH 7.4): 14874.78
Polar Surface Area: 147 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 519.9±3.0 cm3

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